SCHEMBL4021932

SCHEMBL4021932

CC(Nc1ccc(Cl)cc1)c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4844625 0.83 KCNH3 (0.38) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL22805096 0.70 L3MBTL1 (0.54) MAPK1NPSR1ALDH1A1GAAL3MBTL1
SCHEMBL22805099 0.70 L3MBTL1 (0.54) MAPK1NPSR1ALDH1A1GAAL3MBTL1
SCHEMBL10872770 0.68 CYP1A2 (0.45) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL632912 0.67 TDP1 (0.56) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL8038878 0.67 GAA (0.68) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL15592767 0.66 PARP1 (0.30) TDP1
SCHEMBL11205766 0.66 ALDH1A1 (0.62) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL2931121 0.66 ALDH1A1 (0.62) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL10389939 0.66 ALDH1A1 (0.62) MEN1KMT2AMAPTMAPK1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499610-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2009-01-21 EP disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
EP-1499610-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-05-24 EP disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
EP-1499610-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2005-01-26 EP disclosed
WO-2003084464-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2003-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 MEN1 3601/4885KMT2A 1636/4885MAPT 1509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.